Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37668
Common Name:	Tetrahydropteridine
Systematic Name:	5,6,7,8-tetrahydropteridine
RefMet Name:	Tetrahydropteridine
Synonyms:	[PubChem Synonyms]
Exact Mass:	136.0749 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C6H8N4
InChIKey:	IDAICLIJTRXNER-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Pteridines and derivatives [C0000109]
ClassyFire subclass:	Pteridines and derivatives [C0000109]
ClassyFire direct parent:	Aromatic heteropolycyclic compounds
SMILES:	C1CNc2c(cncn2)N1
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	156
CHEBI ID:	28889
HMDB ID:	HMDB0001216
KEGG ID:	C05650
Chemspider ID:	151
METLIN ID:	6086
MetaCyc ID:	5678-TETRAHYDROPTERIDINE
Plant Metabolite Hub(Pmhub):	MS000018811

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y